soprano.calculate.powder.triavg#
triavg.py
Contains a class to define the the POWDER averaging algorithm for NMR spectra, as described in:
D. W. Alderman, Mark S. Solum, and David M. Grant Methods for analyzing spectroscopic line shapes. NMR solid powder patterns [J. Chern. Phys. 84 (7), 1 April 1986]
Classes
|